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1,2-diphenylethyl cyclohexanecarboxylate
SpectraBase Compound ID LLIOnWYYZgk
InChI InChI=1S/C21H24O2/c22-21(19-14-8-3-9-15-19)23-20(18-12-6-2-7-13-18)16-17-10-4-1-5-11-17/h1-2,4-7,10-13,19-20H,3,8-9,14-16H2
InChIKey CXZHZUVBGGLFKU-UHFFFAOYSA-N
Mol Weight 308.42 g/mol
Molecular Formula C21H24O2
Exact Mass 308.17763 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9Nw76bL8daa
Name 1,2-diphenylethyl cyclohexanecarboxylate
Appearance Colorless oil
Carrier Gas Methane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 308.177630011 u
Formula C21H24O2
InChI InChI=1S/C21H24O2/c22-21(19-14-8-3-9-15-19)23-20(18-12-6-2-7-13-18)16-17-10-4-1-5-11-17/h1-2,4-7,10-13,19-20H,3,8-9,14-16H2
InChIKey CXZHZUVBGGLFKU-UHFFFAOYSA-N
Ionization Type EI Positive ion
Literature Reference DOI 10.1002/chem.202201761
Molecular Weight 308.421 g/mol
Quality 226
Reported Formula C21H24O2
SMILES C1(=CC=CC=C1)CC(C1=CC=CC=C1)OC(=O)C1CCCCC1
SPLASH splash10-05po-9400000000-f3e3aa12e744326fda1b
Source of Spectrum QE-28-SM26-5h (DOI: 10.1002/chem.202201761)
Thin-Layer Chromatography 0.33 (n-pentane/EtOAc, 40:1)
Wiley ID 1900702